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3,4,5-TRIHYDROXY-1-CYCLOHEXENE-1-CARBOXYLIC ACID, METHYL ESTER

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3,4,5-TRIHYDROXY-1-CYCLOHEXENE-1-CARBOXYLIC ACID, METHYL ESTER
SpectraBase Compound ID 5WYyQ40Krov
InChI InChI=1S/C8H12O5/c1-13-8(12)4-2-5(9)7(11)6(10)3-4/h2,5-7,9-11H,3H2,1H3
InChIKey LSNUUAUXWJZSFD-UHFFFAOYSA-N
Mol Weight 188.18 g/mol
Molecular Formula C8H12O5
Exact Mass 188.068473 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CPsEo1LpGz2
Name 4-Epishikimic acid, methyl ester
CAS Registry Number 4372-89-8
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C8H12O5
InChI InChI=1S/C8H12O5/c1-13-8(12)4-2-5(9)7(11)6(10)3-4/h2,5-7,9-11H,3H2,1H3
InChIKey LSNUUAUXWJZSFD-UHFFFAOYSA-N
Instrument Name Bruker WM-250
Literature Reference D.A. McGowan, G.A. Berchtold, J. Am. Chem. Soc. 104, 7036 (1982).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent DMSO-D6